Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics

von Rudik, Anastasia V., Dmitriev, Alexander V., Lagunin, Alexey A., Filimonov, Dmitry A., Poroikov, Vladimir V.
Veröffentlicht in J Cheminform (2016)

How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

von Pogodin, Pavel V., Lagunin, Alexey A., Rudik, Anastasia V., Filimonov, Dmitry A., Druzhilovskiy, Dmitry S., Nicklaus, Mark C., Poroikov, Vladimir V.
Veröffentlicht in Front Chem (2018)

CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds

von Lagunin, Alexey A., Dubovskaja, Varvara I., Rudik, Anastasia V., Pogodin, Pavel V., Druzhilovskiy, Dmitry S., Gloriozova, Tatyana A., Filimonov, Dmitry A., Sastry, Narahari G., Poroikov, Vladimir V.
Veröffentlicht in PLoS One (2018)